methyl 3-(fluoromethyl)-5-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]pyridine-2-carboxylate

C30H31F2N7O5 — CID 135226400

About methyl 3-(fluoromethyl)-5-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]pyridine-2-carboxylate

methyl 3-(fluoromethyl)-5-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]pyridine-2-carboxylate (PubChem CID 135226400) has the molecular formula C30H31F2N7O5 and a molecular weight of 607.62 g/mol. Its IUPAC name is methyl 3-(fluoromethyl)-5-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]pyridine-2-carboxylate.

Molecular Properties

• Compound Name: methyl 3-(fluoromethyl)-5-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]pyridine-2-carboxylate
• PubChem CID: 135226400
• Molecular Formula: C30H31F2N7O5
• Molecular Weight: 607.62 g/mol
• Exact Mass: 607.24
• IUPAC Name: methyl 3-(fluoromethyl)-5-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]pyridine-2-carboxylate
• SMILES: COCCN1C[C@@H](NC(=O)Nc2c(C)c(-c3cnc(C(=O)OC)c(CF)c3)nn2-c2ccccc2)[C@H](c2ccnc(F)c2)O1
• InChI: InChI=1S/C30H31F2N7O5/c1-18-25(21-13-20(15-31)26(34-16-21)29(40)43-3)37-39(22-7-5-4-6-8-22)28(18)36-30(41)35-23-17-38(11-12-42-2)44-27(23)19-9-10-33-24(32)14-19/h4-10,13-14,16,23,27H,11-12,15,17H2,1-3H3,(H2,35,36,41)/t23-,27+/m1/s1
• InChIKey: HAZBSMUOOAGWRD-KCWPFWIISA-N
• XLogP: 4.16
• TPSA: 132.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	607.62
LogP ≤ 5	4.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methyl 3-(fluoromethyl)-5-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]pyridine-2-carboxylate?

The IUPAC name of methyl 3-(fluoromethyl)-5-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]pyridine-2-carboxylate (CID 135226400) is methyl 3-(fluoromethyl)-5-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]pyridine-2-carboxylate.

What is the SMILES notation for methyl 3-(fluoromethyl)-5-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]pyridine-2-carboxylate?

The canonical SMILES for methyl 3-(fluoromethyl)-5-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]pyridine-2-carboxylate is COCCN1C[C@@H](NC(=O)Nc2c(C)c(-c3cnc(C(=O)OC)c(CF)c3)nn2-c2ccccc2)[C@H](c2ccnc(F)c2)O1.

What is the InChIKey of methyl 3-(fluoromethyl)-5-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]pyridine-2-carboxylate?

The InChIKey is HAZBSMUOOAGWRD-KCWPFWIISA-N. The full InChI is InChI=1S/C30H31F2N7O5/c1-18-25(21-13-20(15-31)26(34-16-21)29(40)43-3)37-39(22-7-5-4-6-8-22)28(18)36-30(41)35-23-17-38(11-12-42-2)44-27(23)19-9-10-33-24(32)14-19/h4-10,13-14,16,23,27H,11-12,15,17H2,1-3H3,(H2,35,36,41)/t23-,27+/m1/s1.

What are the key properties of methyl 3-(fluoromethyl)-5-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]pyridine-2-carboxylate?

methyl 3-(fluoromethyl)-5-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]pyridine-2-carboxylate has a molecular weight of 607.62 g/mol, XLogP of 4.16, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 3-(fluoromethyl)-5-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]pyridine-2-carboxylate is sourced from PubChem (CID 135226400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).